Geometry & MOs

Info

ID:	119226
PubChem CID:	50674589
Reduced:	FCl2O3N4C27H31 (1)
Stoich.:	AB2C3D4E27F31 (1)
Weight, g/mol:	564.146174
ΔH_f, kcal/mol:	-165.21
Dipole, Da:	8.21
IP(EA), eV:	-9.1(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(3,5-dichlorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2CCCC2)Cl)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations